[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate

C15H20ClF3N2O2 — CID 90373785

IUPAC[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(C)(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H20ClF3N2O2/c1-13(2,3)21-12(22)23-8-14(4,5)11-10(16)6-9(7-20-11)15(17,18)19/h6-7H,8H2,1-5H3,(H,21,22)
InChIKeyIFQSTGZKXUMUOE-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.56
Rot. Bonds3

About [2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate

[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate (PubChem CID 90373785) has the molecular formula C15H20ClF3N2O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is [2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate
PubChem CID90373785
Molecular FormulaC15H20ClF3N2O2
Molecular Weight352.78 g/mol
Exact Mass352.12
IUPAC Name[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(C)(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H20ClF3N2O2/c1-13(2,3)21-12(22)23-8-14(4,5)11-10(16)6-9(7-20-11)15(17,18)19/h6-7H,8H2,1-5H3,(H,21,22)
InChIKeyIFQSTGZKXUMUOE-UHFFFAOYSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate?
The IUPAC name of [2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate (CID 90373785) is [2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate.
What is the SMILES notation for [2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate?
The canonical SMILES for [2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OCC(C)(C)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate?
The InChIKey is IFQSTGZKXUMUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2O2/c1-13(2,3)21-12(22)23-8-14(4,5)11-10(16)6-9(7-20-11)15(17,18)19/h6-7H,8H2,1-5H3,(H,21,22).
What are the key properties of [2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate?
[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate has a molecular weight of 352.78 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropyl] N-tert-butylcarbamate is sourced from PubChem (CID 90373785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).